Structure & Deep Data of Androstenone (C19H28O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The androstenone molecule contains a total of 51 bond(s). There are 23 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of androstenone are given below:

The 2D chemical structure image of androstenone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of androstenone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of androstenone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of androstenone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Androstenone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of androstenone

  The SMILES string of androstenone is CC34CCC1C(CCC2CC(=O)CCC12C)C3CC=C4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the androstenone.

• Structure Data File (SDF/MOL File) of androstenone

  The structure data file (SDF/MOL File) of androstenone is available for download in the SDF page of androstenone, which provides the information about the atoms, bonds, connectivity and coordinates of androstenone. The androstenone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of androstenone

  The molecular formula of androstenone is available in chemical formula page of androstenone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of androstenone

  The molecular weight of androstenone is available in molecular weight page of androstenone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of androstenone

  The androstenone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of androstenone including the various registry numbers, if available:

  • androstenone
  • 3-Keto-5alpha,16-androstene
  • 16-(5alpha)Androsten-3-one
  • 5alpha-Androst-16-en-3-one
  • 18339-16-7

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Androstenone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of androstenone?
C19H28O
How many atoms and what are the elements included the androstenone molecule?
48 atom(s) - 28 Hydrogen atom(s), 19 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the androstenone structure?
51 bond(s) - 23 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), and 1 ketone(s) (aliphatic)
What’s the androstenone’s molecular weight?
272.42502 g/mol
What’s the SMILES code of androstenone?
CC34CCC1C(CCC2CC(=O)CCC12C)C3CC=C4
What’s the InChI string of androstenone?
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
What’s the InChIKey code of androstenone?
HFVMLYAGWXSTQI-QYXZOKGRSA-N

1429 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).